2-(3-methoxyanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide

C22H24N4O3 — CID 109337491

IUPAC2-(3-methoxyanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2nc(C)cc(C(=O)Nc3ccccc3OC(C)C)n2)c1
InChIInChI=1S/C22H24N4O3/c1-14(2)29-20-11-6-5-10-18(20)25-21(27)19-12-15(3)23-22(26-19)24-16-8-7-9-17(13-16)28-4/h5-14H,1-4H3,(H,25,27)(H,23,24,26)
InChIKeyUXQSBIXTGNFDCH-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.58
Rot. Bonds7

About 2-(3-methoxyanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide

2-(3-methoxyanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109337491) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
PubChem CID109337491
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-(3-methoxyanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2nc(C)cc(C(=O)Nc3ccccc3OC(C)C)n2)c1
InChIInChI=1S/C22H24N4O3/c1-14(2)29-20-11-6-5-10-18(20)25-21(27)19-12-15(3)23-22(26-19)24-16-8-7-9-17(13-16)28-4/h5-14H,1-4H3,(H,25,27)(H,23,24,26)
InChIKeyUXQSBIXTGNFDCH-UHFFFAOYSA-N
XLogP4.58
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334663
methyl 2-[[2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109337500
N-(2-methoxyphenyl)-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109334921
6-methyl-N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109334845
N-(2-cyanophenyl)-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337510
2-(2-methoxyanilino)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109337428
2-(2,4-difluoroanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109337718
2-(3-acetylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337527
5-(3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293523
2-(3,5-dimethylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335915
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336848
2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334565

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-methoxyanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide (CID 109337491) is 2-(3-methoxyanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-methoxyanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-methoxyanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide is COc1cccc(Nc2nc(C)cc(C(=O)Nc3ccccc3OC(C)C)n2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is UXQSBIXTGNFDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14(2)29-20-11-6-5-10-18(20)25-21(27)19-12-15(3)23-22(26-19)24-16-8-7-9-17(13-16)28-4/h5-14H,1-4H3,(H,25,27)(H,23,24,26).
What are the key properties of 2-(3-methoxyanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
2-(3-methoxyanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109337491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).